CID 51060282

1-(2-(2-(2-nitrophenoxy)propanoyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C29H25N3O8
SMILES
CC(C(=O)N/N=C/C1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC(=C(C=C3)OC)OC)OC4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C29H25N3O8/c1-18(39-25-11-7-6-10-23(25)32(35)36)28(33)31-30-17-22-21-9-5-4-8-19(21)12-14-24(22)40-29(34)20-13-15-26(37-2)27(16-20)38-3/h4-18H,1-3H3,(H,31,33)/b30-17+
InChIKey
BMGYNUJKKTVWGZ-OCSSWDANSA-N
Compound name
[1-[(E)-[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.1642 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.17148 227.6
[M+Na]+ 566.15342 228.3
[M-H]- 542.15692 238.1
[M+NH4]+ 561.19802 230.7
[M+K]+ 582.12736 223.2
[M+H-H2O]+ 526.16146 218.8
[M+HCOO]- 588.16240 249.5
[M+CH3COO]- 602.17805 250.4
[M+Na-2H]- 564.13887 230.7
[M]+ 543.16365 232.0
[M]- 543.16475 232.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.